CID 135854966

103980-61-6

Structural Information

Molecular Formula
C17H30N2O
SMILES
CCCCCCCCCCCCC1=C(N=CNC1=O)C
InChI
InChI=1S/C17H30N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)18-14-19-17(16)20/h14H,3-13H2,1-2H3,(H,18,19,20)
InChIKey
KMKURCSWXPDGSU-UHFFFAOYSA-N
Compound name
5-dodecyl-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2358 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.243076 171.6
[M+Na]+ 301.225018 177.3
[M-H]- 277.228524 170.0
[M+NH4]+ 296.269623 184.8
[M+K]+ 317.198958 172.1
[M+H-H2O]+ 261.233060 163.1
[M+HCOO]- 323.234001 189.7
[M+CH3COO]- 337.249651 201.6
[M+Na-2H]- 299.210466 173.6
[M]+ 278.23525142 175.1
[M]- 278.23634858 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.